3-acetamido-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3-acetamido-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide Openeye Name: 3-acetamido-N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]benzamide CAS Name: 3-acetamido-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-thiazolyl]benzamide IUPAC Name: 3-acetamido-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide Traditional Name: 3-acetamido-N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]benzamide Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)CC3=NNC(=S)N3CC=C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)CC3=NNC(=S)N3CC=C

InChI

InChI=1S/C18H18N6O2S2/c1-3-7-24-15(22-23-18(24)27)9-14-10-28-17(20-14)21-16(26)12-5-4-6-13(8-12)19-11(2)25/h3-6,8,10H,1,7,9H2,2H3,(H,19,25)(H,23,27)(H,20,21,26)